2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile

C23H21N7O — CID 56970945

IUPAC2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc(N4CCNCC4=O)nc3)n2)c1
InChIInChI=1S/C23H21N7O/c24-12-15-5-6-26-20(9-15)29-21-11-18(16-1-2-16)10-19(28-21)17-3-4-22(27-13-17)30-8-7-25-14-23(30)31/h3-6,9-11,13,16,25H,1-2,7-8,14H2,(H,26,28,29)
InChIKeyUUKHBWIGLMVNSQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.97
Rot. Bonds5

About 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile

2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 56970945) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID56970945
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc(N4CCNCC4=O)nc3)n2)c1
InChIInChI=1S/C23H21N7O/c24-12-15-5-6-26-20(9-15)29-21-11-18(16-1-2-16)10-19(28-21)17-3-4-22(27-13-17)30-8-7-25-14-23(30)31/h3-6,9-11,13,16,25H,1-2,7-8,14H2,(H,26,28,29)
InChIKeyUUKHBWIGLMVNSQ-UHFFFAOYSA-N
XLogP2.97
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

Wnt-974
CID 46926973
Las-101057
CID 16071896
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134133501
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 56970945) is 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc(N4CCNCC4=O)nc3)n2)c1.
What is the InChIKey of 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is UUKHBWIGLMVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c24-12-15-5-6-26-20(9-15)29-21-11-18(16-1-2-16)10-19(28-21)17-3-4-22(27-13-17)30-8-7-25-14-23(30)31/h3-6,9-11,13,16,25H,1-2,7-8,14H2,(H,26,28,29).
What are the key properties of 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 56970945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).